SCHEMBL4890697

SCHEMBL4890697

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCO

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.54
PPARG P37231 7/20 0.53
PTPN1 P18031 4/20 0.49
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
IKBKB O14920 1/20 0.44
TP53 P04637 1/20 0.44
CTSS P25774 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4484960 0.92 PPARA (0.58) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL9831925 0.88 PTPN1 (0.51) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL4906461 0.87 PPARA (0.52) PPARAPPARGKDM4EIKBKBRAB9A
SCHEMBL3530493 0.86 RAB9A (0.53) PPARAPPARGKDM4ETP53RAB9A
SCHEMBL28295550 0.86 PPARA (0.46) PPARAPPARGPTPN1KDM4EMAPT
SCHEMBL1436051 0.84 PPARA (0.51) PPARAPPARGKDM4EMAPTRAB9A
SCHEMBL20861471 0.84 PPARA (0.53) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL2517496 0.84 PPARA (0.49) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL4478993 0.83 PPARG (0.44) PPARAPPARGPTPN1KDM4EL3MBTL1
SCHEMBL820945 0.83 SMN1; SMN2 (0.51) PPARAPPARGKDM4ETP53RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same CRYSTAL GENOMICS, INC. (KR) 2007-11-01 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
CN-1509173-A Carboxylic and substituted oxazole derivatives for use as PPAR-& and PPAR-r activators in the treatment of diabetes - 2004-06-30 CN disclosed
US-20040102439-A1 Halogenobenzyl aminopropionic acid derivatives TOAEIYO LTD. (JP) 2004-05-27 US disclosed
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
US-6498174-B1 AGONISTS TO PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; MODULATING BLOOD GLUCOSE AND LIPID LEVELS; REDUCING DYSLIPIDEMIA AND HYPERINSULINEMIA ASSOCIATED WITH IMPAIRED GLUCOSE TOLERANCE OR METABOLIC SYNDROME SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102439-A1 Halogenobenzyl aminopropionic acid derivatives FABP4, SLC5A1, ALDH7A1 PPARA 24/4885PPARG 34/4885PTPN1 301/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PTPN1 1616/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PTPN1 1868/4885
US-20070254882-A1 Sulfamide Derivatives and Pharmaceutical Composition for Upregulation of Lipid Metabolism Comprising Same SULT2A1, SPTLC2, SGMS2 PPARA 190/4885PPARG 399/4885PTPN1 1365/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PTPN1 1613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.